Basic information
- CAS
101813-63-2- Standard SMILES
O=C(NCC1(c2ccccc2)CC[NH+](CC2COc3ccccc3O2)CC1)C1CC1.[Cl-]- InChIKey
CFAWNGFFXVQIDS-UHFFFAOYSA-N- Molecular formula
- C25H31ClN2O3
- Average molar mass
- 443 g/mol
- Monoisotopic mass
- 442.2023205
Names & identifiers
- Preferred name
- Cyclopropanecarboxamide, N-((1-(1,4-benzodioxan-2-ylmethyl)-4-phenyl-4-piperidyl)methyl)-, hydrochloride
- IUPAC
- N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperidin-1-ium-4-yl]methyl]cyclopropanecarboxamide chloride
Names & synonyms
101813-63-2Cyclopropanecarboxamide, N-((1-(1,4-benzodioxan-2-ylmethyl)-4-phenyl-4-piperidyl)methyl)-, hydrochloride2-(4-(Cyclopropylcarboxamidomethyl)-4-phenyl-1-piperidinyl)-methyl-1,4-benzodioxane HClRefChem:336213
Database identifiers
- CAS
101813-63-2- PubChem CID
- 58895
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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